SCHEMBL5053558

SCHEMBL5053558

S=C1N/C(=N/C2CCc3ccccc32)C(c2ccnc3ccccc23)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 5/20 0.33
▸ IP6K1 Q92551 1/20 0.30
▸ IP6K3 Q96PC2 1/20 0.30
▸ HSD11B1 P28845 4/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5053560 1.00 QPCT (0.33) QPCTIP6K1IP6K3HSD11B1
SCHEMBL14217701 1.00 QPCT (0.33) QPCTIP6K1IP6K3HSD11B1
SCHEMBL5053562 1.00 QPCT (0.33) QPCTIP6K1IP6K3HSD11B1
SCHEMBL5056779 0.91 QPCT (0.41) QPCTIP6K1IP6K3HSD11B1
SCHEMBL14076354 0.91 QPCT (0.41) QPCTIP6K1IP6K3HSD11B1
SCHEMBL5056778 0.91 QPCT (0.41) QPCTIP6K1IP6K3HSD11B1
SCHEMBL5056780 0.91 QPCT (0.41) QPCTIP6K1IP6K3HSD11B1
SCHEMBL5056756 0.84 QPCT (0.36) QPCTHSD11B1
SCHEMBL5056751 0.84 QPCT (0.36) QPCTHSD11B1
SCHEMBL5056759 0.84 QPCT (0.36) QPCTHSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP claimed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 — — US claimed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — US claimed
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 — — US disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL QPCT 9/4885IP6K1 3878/4885IP6K3 3278/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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